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Paul Allen Kuberry
Staff Page • Computational Mathematics. Biography Paul Kuberry received his M.S. and Ph.D. in Mathematical Sciences from Clemson University and his B.S. in Mathematics from Clarion University of Pennsylvania. His research interests include developing and analyzing algorithms and coupling methods for the solution of multi-physics partial differential equations and problems posed on domains...

Pavel B. Bochev
Staff Page • Computing Research. Biography Pavel is a Senior Scientist at Sandia National Laboratories in Albuquerque where he works in the Center for Computing Research. He joined Sandia in 2000 after six years of teaching and research at the University of Texas at Arlington. Pavel’s research interests include compatible discretizations for partial...

Pavel Bochev receives DOE’s E.O. Lawrence Award
News Article, June 1, 2015 • Pavel Bochev (1442), a computational mathematician, has received an Ernest Orlando Lawrence Award for his pioneering theoretical and practical advances in numerical methods for partial differential equations. “This is the most prestigious mid-career honor that the Department of Energy awards,” says Bruce Hendrickson (director 1400, Computing Research). Lawrence Award recipients...
Pavel Bochev receives DOE’s E.O. Lawrence Award

Performance Improvements for Open MPI Demonstrated at Scale on Trinity
News Article, August 1, 2017 •  Researchers from Sandia and Los Alamos National Laboratory recently collaborated to increase the performance of Open MPI on the Trinity supercomputer. The multi-lab team was able to significantly improve the performance of MPI remote memory access (RMA) operations, especially when RMA operations are used by multi-threaded applications. A key part...
Figure: This graph shows the performance improvement for Open MPI's Remote Memory Access operations using the HPCCG benchmark. The new implementation (OSC/RDMA) significantly outperforms the previous approach (OSC/PT2PT).

Performance Portable Sparse Matrix-Matrix Multiplication is significantly faster than vendor provided libraries
News Article, October 1, 2016 • Sandia researchers developed a new algorithm for a performance-portable sparse matrix-matrix multiplication kernel in the KokkosKernels package. This new kernel is thread scalable, and memory-efficient in comparison to other publicly available implementations. It also optimizes for use cases from Sandia applications, such as reusing the symbolic structure of the problems...
Results showing that KokkosKernels' sparse matrix-matrix multiplication achieves higher GFLOPS rates than cuSPARSE on a K80 GPU for matrices from multigrid methods

Peridigm
Software • Peridigm is an open-source computational peridynamics code. It is a massively-parallel simulation code for implicit and explicit multi-physics simulations centering on solid mechanics and material failure. Peridigm is a C++ code utilizing foundational software components from Sandia's Trilinos project and is fully compatible with the Cubit mesh generator and Paraview visualization...

Peridynamics
Focus Area • The peridynamic theory of solid mechanics, developed at Sandia, is a nonlocal extension of classical continuum mechanics for discontinuities and long-range forces. It is a mathematical theory that unifies the mechanics of continuous media, cracks, and discrete particles. Our research in peridynamics span a number of interrelated areas, including mathematics,...

Peter A. Schultz
Staff Page • Computational Multiscale. Projects/Research interests High-performance computing in atomistic materials science Development and application of high-performance atomistic materials simulations methods, particularly first principles quantum mechanics for extended (bulk and surface) systems. Quantum Electronic Structure Method Development: SeqQuest Principal developer of the QUEST suite of Gaussian-basis density functional theory (DFT) pseudopotential codes...

Peter Andrew Bosler
Staff Page • Computational Science. Biography Dr. Peter Bosler researches interdisciplinary applied mathematics and scientific computation for coupled multiphysics/multiscale problems. His projects involve close coupling between numerical methods development, data collection and application science, and high performance computing. Recent projects have been aimed at applications in climate modeling and plasma physics. His technical...

PhD Thesis Committee
Award, February 11, 2016 – April 19, 2018 • Society/professional leadership, Boston University.

Poblano Toolbox
Software • Poblano is a Matlab toolbox of large-scale algorithms for unconstrained nonlinear optimization problems. The algorithms in Poblano require only first-order derivative information (e.g., gradients for scalar-valued objective functions), and therefore can scale to very large problems. The driving application for Poblano development has been tensor decompositions in data analysis applications...

Portals 4
Software • Portals is a message passing interface intended to allow scalable, high-performance network communication between nodes of a parallel computing system. Portals is designed to operate on scales ranging from a small number of commodity desktops connected via Ethernet to massively parallel platforms connected with custom designed networks. Portals attempts to...
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Portals Interconnect API
Project • Portals is an interconnect API intended to allow scalable, high-performance network communication between nodes of a large-scale parallel computing system. Portals is based on a building blocks approach that enables multiple upper-level protocols, such as MPI and SHMEM, to be used simultaneously within a process. This approach also encapsulates important semantics that can...
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Poster Committee Member
Award, April 24, 2017 – June 30, 2017 • Society/professional leadership, The 26th International Symposium on High Performance Distributed Computing (HPDC).

Power API
Project • Achieving practical exascale supercomputing will require massive increases in energy efficiency. The bulk of this improvement will likely be derived from hardware advances such as improved semiconductor device technologies and tighter integration, hopefully resulting in more energy efficient computer architectures. Still, software will have an important role to play. With...

Power API and LAMMPS Named R&D 100 Award Finalists
News Article, October 1, 2018 • Two CCR technologies have been named as finalists for the 2018 R&D100 Awards. Each year, R&D Magazine names the 100 most technologically significant products and advancements, recognizing the winners and their organizations. Winners are selected from submissions from universities, corporations, and government labs throughout the world. This year’s finalists include...
R&D 100 Awards

Power API and LAMMPS Win R&D 100 Awards
News Article, November 1, 2018 • Two CCR technologies have won 2018 R&D100 Awards. Each year, R&D Magazine names the 100 most technologically significant products and advancements, recognizing the winners and their organizations. Winners are selected from submissions from universities, corporations, and government labs throughout the world. This year’s winners include the Power API and LAMMPS. The Power API...
R&D 100 Awards

Program Committee
Award, December 1, 2008 – August 13, 2009 • Society/professional leadership, ACM Symposium on Parallelism in Algorithms and Architectures.

Projects
Page • The CCR enterprise is closely tied to the laboratories' broader set of missions and strategies. We share responsibility within Sandia as stewards of important capabilities for the nation in high-strain-rate physics, scientific visualization, optimization, uncertainty quantification, scalable solvers, inverse methods, and computational materials. We also leverage our core technologies to...

Prove-It
Software • Prove-It uses a powerful yet simple approach to theorem-proving. It is not designed with automation as the primary goal. The primary goal is flexibility in order to be able to follow, ideally, any valid and complete (indivisible) chain of reasoning. To that end, users can write additional Python scripts to...
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